Commit | Date | |
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[r16963]
by
bugman
The CSA value is now only set for the 15N spins in the dauvergne_protocol.py system test script. |
2012-06-19 14:38:57 | Tree |
[r16962]
by
bugman
Added a check to the model-free overfit_deselect() to see if a relaxation mechanism is present. |
2012-06-19 14:25:34 | Tree |
[r16961]
by
bugman
Fix for the model-free duplicate_data() method for interatomic data. This is used by the model_selection user function. The problem was that no proton spins where being |
2012-06-19 14:21:59 | Tree |
[r16960]
by
bugman
Merged revisions 16959 via svnmerge from ........ |
2012-06-19 14:06:57 | Tree |
[r16959]
by
bugman
Created the generic_fns.mol_res_spin.return_spin_indices() function to return the index triplet. This allows a spin ID to be converted into the molecule, residue and spin indices. |
2012-06-19 14:06:30 | Tree |
2012-06-19 12:55:59 | Tree | |
[r16957]
by
bugman
The generate_spin_id() function now choses to use the spin name instead of number by default. |
2012-06-19 12:55:38 | Tree |
2012-06-19 12:18:15 | Tree | |
[r16955]
by
bugman
Expanded the functionality of the generic_fns.interatomic module. The copy() and exists_data() functions have been added to copy all interatomic data from one data |
2012-06-19 12:12:23 | Tree |
[r16954]
by
bugman
Created the RelaxInteratomError and RelaxNoInteratomError classes for interatomic data errors. |
2012-06-19 12:10:20 | Tree |